Geometry & MOs

Info

ID:

100947

PubChem CID:

50064201

Reduced:

ClF2O5N6C40H45 (1)

Stoich.:

AB2C5D6E40F45 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-283.16

Dipole, Da:

19.65

IP(EA), eV:

 -8.86(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-5-chlorophenyl]-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations